| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingosine kinase 1 |
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| Ligand | BDBM50600 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2267121 |
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| Ki | 300±n/a nM |
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| Citation |  Ding, T; Zhi, Y; Xie, W; Yao, Q; Liu, B Rational design of SphK inhibitors using crystal structures aided by computer. Eur J Med Chem213:0 (2021) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Sphingosine kinase 1 |
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| Name: | Sphingosine kinase 1 |
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| Synonyms: | SK1 | SPHK | SPHK1 | SPHK1_HUMAN | SPK | Sphingosine kinase 1 | Sphingosine kinase 1 (SPHK1) | Sphingosine kinase types 1 (SphK1) |
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| Type: | Enzyme |
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| Mol. Mass.: | 42521.16 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9NYA1 |
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| Residue: | 384 |
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| Sequence: | MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHA
RELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASL
NHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLE
SEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVP
LEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLL
RLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFW
MVSGCVEPPPSWKPQQMPPPEEPL
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| BDBM50600 |
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| n/a |
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| Name | BDBM50600 |
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| Synonyms: | MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-cyclohexyl-acetamide | N-(3-chloro-1,4-diketo-2-naphthyl)-N-cyclohexyl-acetamide | N-(3-chloro-1,4-dioxo-2-naphthalenyl)-N-cyclohexylacetamide | N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-cyclohexylacetamide | N-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-N-cyclohexyl-ethanamide | SMR000426871 | cid_282594 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H18ClNO3 |
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| Mol. Mass. | 331.793 |
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| SMILES | CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11| |
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| Structure | 
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